SCHEMBL8073710

SCHEMBL8073710

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc(C(=O)CSn2cnc3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
GALR3 O60755 1/20 0.38
MAPT P10636 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
TTR P02766 2/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8446361 0.88 SLC9A1 (0.40)
Hydrochloric Acid SCHEMBL8072548 0.88 SLC9A1 (0.39)
SCHEMBL8446994 0.77 RAB9A (0.53) SMN1; SMN2LMNAMAPTTTRHPGD
SCHEMBL8446364 0.75 CA1 (0.55) SMN1; SMN2HTTMAPTCA1CA2
SCHEMBL7995261 0.74 TTR (0.61) CA12CA1CA2CA7CA9
SCHEMBL8073502 0.73 TTR (0.51) MAPTCA12CA1CA2CA7
SCHEMBL8068490 0.73 TTR (0.44) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL8073894 0.72 CTSZ (0.45) TSHRHTTMAPTCA12CA1
SCHEMBL8815218 0.72 NR4A2 (0.58) SMN1; SMN2KMT2A
SCHEMBL8059431 0.71 CYP19A1 (0.51) LMNACA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed